SCHEMBL7004934

SCHEMBL7004934

Cc1cc(NCCCn2cc[n+](CCO)c2)n2ncc([N+](=O)[O-])c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.43
MEN1 O00255 10/20 0.43
KMT2A Q03164 10/20 0.43
RAB9A P51151 9/20 0.43
NPC1 O15118 8/20 0.43
MAPT P10636 7/20 0.43
HSD17B10 Q99714 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 11/20 0.42
HPGD P15428 10/20 0.42
LMNA P02545 4/20 0.42
CLK1 P49759 1/20 0.42
HTT P42858 3/20 0.37
USP2 O75604 1/20 0.37
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6850196 0.99 KDM4E (0.45) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL2929987 0.85 KDM4E (0.47) KDM4EMEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL5473424 0.84 KDM4E (0.48) KDM4EMEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL6853820 0.84 KDM4E (0.46) KDM4EMEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL6853812 0.83 KDM4E (0.47) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL7474520 0.80 KMT2A (0.46) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL6855899 0.79 KDM4E (0.65) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL6167007 0.71 MAPT (0.37) MAPTALDH1A1LMNAHTTGAA
Hydrochloric Acid SCHEMBL7126153 0.70 MAPT (0.36) MAPTALDH1A1LMNAHTTGAA
Hydrochloric Acid SCHEMBL5718428 0.69 ALDH1A1 (0.44) KDM4EMEN1KMT2AMAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147109-B1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATIVE DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2003-04-02 EP disclosed
EP-1147109-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS ET DYEING METHODS L'OREAL (FR) 2001-10-24 EP disclosed
WO-2000043396-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS ET DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed